4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one

C23H31NO3Si — CID 162384090

IUPAC4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OCCOCC1CNC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO3Si/c1-23(2,3)28(20-10-6-4-7-11-20,21-12-8-5-9-13-21)27-15-14-26-18-19-16-22(25)24-17-19/h4-13,19H,14-18H2,1-3H3,(H,24,25)
InChIKeyQVQSLKLFWQGPDS-UHFFFAOYSA-N
MW397.59 g/mol
LogP2.72
Rot. Bonds8

About 4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one

4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one (PubChem CID 162384090) has the molecular formula C23H31NO3Si and a molecular weight of 397.59 g/mol. Its IUPAC name is 4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one
PubChem CID162384090
Molecular FormulaC23H31NO3Si
Molecular Weight397.59 g/mol
Exact Mass397.21
IUPAC Name4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OCCOCC1CNC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO3Si/c1-23(2,3)28(20-10-6-4-7-11-20,21-12-8-5-9-13-21)27-15-14-26-18-19-16-22(25)24-17-19/h4-13,19H,14-18H2,1-3H3,(H,24,25)
InChIKeyQVQSLKLFWQGPDS-UHFFFAOYSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one (CID 162384090) is 4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one is CC(C)(C)[Si](OCCOCC1CNC(=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one?
The InChIKey is QVQSLKLFWQGPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3Si/c1-23(2,3)28(20-10-6-4-7-11-20,21-12-8-5-9-13-21)27-15-14-26-18-19-16-22(25)24-17-19/h4-13,19H,14-18H2,1-3H3,(H,24,25).
What are the key properties of 4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one?
4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one has a molecular weight of 397.59 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 162384090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).